2-chloroethenyl acetate;ethene

C6H9ClO2 — CID 175726418

IUPAC2-chloroethenyl acetate;ethene
SMILESC=C.CC(=O)OC=CCl
InChIInChI=1S/C4H5ClO2.C2H4/c1-4(6)7-3-2-5;1-2/h2-3H,1H3;1-2H2
InChIKeyXEDIQYFWXNMKDH-UHFFFAOYSA-N
MW148.59 g/mol
LogP2.06
Rot. Bonds1

About 2-chloroethenyl acetate;ethene

2-chloroethenyl acetate;ethene (PubChem CID 175726418) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-chloroethenyl acetate;ethene.

Molecular Properties

Compound Name2-chloroethenyl acetate;ethene
PubChem CID175726418
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name2-chloroethenyl acetate;ethene
SMILESC=C.CC(=O)OC=CCl
InChIInChI=1S/C4H5ClO2.C2H4/c1-4(6)7-3-2-5;1-2/h2-3H,1H3;1-2H2
InChIKeyXEDIQYFWXNMKDH-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-chlorohexa-1,3,5-trienyl acetate
CID 174570598
bis[(E)-2-chloroethenyl] carbonate
CID 87127932
[(E)-prop-1-enyl] acetate
CID 637917
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate
CID 7904
2-(chlorooxyamino)ethenyl acetate
CID 56995616
CID 22321303
CID 22321303
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
[(Z)-2-chloroethenyl] 2-chloroacetate
CID 13201921
dichloromethane;ethenyl acetate
CID 86614662
2-acetyloxyethenesulfinic acid
CID 174787395
methoxysilane;prop-1-enyl acetate
CID 174837390

Frequently Asked Questions

What is the IUPAC name of 2-chloroethenyl acetate;ethene?
The IUPAC name of 2-chloroethenyl acetate;ethene (CID 175726418) is 2-chloroethenyl acetate;ethene.
What is the SMILES notation for 2-chloroethenyl acetate;ethene?
The canonical SMILES for 2-chloroethenyl acetate;ethene is C=C.CC(=O)OC=CCl.
What is the InChIKey of 2-chloroethenyl acetate;ethene?
The InChIKey is XEDIQYFWXNMKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO2.C2H4/c1-4(6)7-3-2-5;1-2/h2-3H,1H3;1-2H2.
What are the key properties of 2-chloroethenyl acetate;ethene?
2-chloroethenyl acetate;ethene has a molecular weight of 148.59 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenyl acetate;ethene is sourced from PubChem (CID 175726418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).